Chemical ID: 5105771

CC1c2ccccc2C3(CCCC3)CN1C(=O)Cc4ccccc4
Chemical ID:
5105771
Name [?]:
None
SMILES [?]:
CC1c2ccccc2C3(CCCC3)CN1C(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H25NO/c1-17-19-11-5-6-12-20(19)22(13-7-8-14-22)16-23(17)21(24)15-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,5,6,11,12,20,24,4,7,10,13,18,14,2,19,3,8,16,9,15,17/E:(3,4)(7,8)(9,10)(13,14)/rA:24cCCCCCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s9s12;s9;s2s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.3113
Area:504.498
Solvation:-2.30117
Coulombic:-19.3508
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.44
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.76
LogP (Chemaxon):4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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